SCHEMBL6235616

SCHEMBL6235616

NN(C(=O)C(C1CCCCC1)N(C=O)OCc1ccccc1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
PKM P14618 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SYK P43405 1/20 0.32
SGMS2 Q8NHU3 1/20 0.31
EPHX1 P07099 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HDAC4 P56524 1/20 0.30
SLC6A7 Q99884 1/20 0.30
CETP P11597 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6235554 0.90 CHRM2 (0.33) CHRM4CHRM2CHRM3PPARGPPARA
SCHEMBL6241528 0.89 SYK (0.33) CHRM4CHRM2CHRM3PKMPPARG
SCHEMBL4870741 0.82 SYK (0.37) CHRM4CNR2CNR1PKMSYK
SCHEMBL4862738 0.82 SYK (0.37) CHRM4CNR2CNR1PKMSYK
SCHEMBL4870425 0.81 SYK (0.38) CHRM4PKMSYKPRMT5WDR77
SCHEMBL4868524 0.76 SYK (0.38) CHRM4CNR2CNR1CHRM2CHRM3
SCHEMBL4581881 0.75 PRMT5 (0.32) PKMPRMT5WDR77
SCHEMBL4581885 0.75 PRMT5 (0.32) PKMPRMT5WDR77
SCHEMBL6232490 0.73 SYK (0.37) CHRM4SYKPRMT5WDR77
SCHEMBL4869547 0.73 SYK (0.37) CHRM4CHRM2CHRM3SYKPRMT5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 WO disclosed